3-[(2S)-1-methylpyrrolidin-2-yl]pyridine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-[(2S)-1-methyl-2-pyrrolidinyl]pyridine IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine Traditional Name: citric acid; 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine Formula: C26H36N4O7 MolecularWeight: 516.58664

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=CN=CC=C2.CN1CCCC1C2=CN=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CN1CCC[C@H]1C2=CN=CC=C2.CN1CCC[C@H]1C2=CN=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/2C10H14N2.C6H8O7/c2*1-12-7-3-5-10(12)9-4-2-6-11-8-9;7-3(8)1-6(13,5(11)12)2-4(9)10/h2*2,4,6,8,10H,3,5,7H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t2*10-;/m00./s1